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Oprea1_408758,ASN 03367406, 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methy

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摘 要:Oprea1_408758,ASN 03367406, 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-,3-phenylurea,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=O)NC4=CC=CC=C4,InChI: InChI=1/C24H28N4O4/c1-31-21-7-8-22-18(16-21)15-19(23
[Synonyms]
Oprea1_408758
ASN 03367406

[Structure]
Oprea1_408758,ASN 03367406, 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methy

[ Properties Computed from Structure]
Molecular Weight436.50352 [g/mol]
Molecular FormulaC24H28N4O4
XLogP1.3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count4
Exact Mass436.211055
MonoIsotopic Mass436.211055
Topological Polar Surface Area83.1
Heavy Atom Count32
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-
3-phenylurea
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1/C24H28N4O4/c1-31-21-7-8-22-18(16-21)15-19(23(29)26-22)17-28(10-
9-27-11-13-32-14-12-27)24(30)25-20-5-3-2-4-6-20/h2-8,15-16H,9-14,17H2,
1H3,(H,25,30)(H,26,29)/f/h25-26H

 
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